4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide

C18H14ClN3O2 — CID 155538726

IUPAC4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C18H14ClN3O2/c19-15-3-1-13(2-4-15)17(23)14-9-16(21-11-14)18(24)22-10-12-5-7-20-8-6-12/h1-9,11,21H,10H2,(H,22,24)
InChIKeyRMJIMUCQQGEVKQ-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.22
Rot. Bonds5

About 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide

4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 155538726) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID155538726
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NCc2ccncc2)c1
InChIInChI=1S/C18H14ClN3O2/c19-15-3-1-13(2-4-15)17(23)14-9-16(21-11-14)18(24)22-10-12-5-7-20-8-6-12/h1-9,11,21H,10H2,(H,22,24)
InChIKeyRMJIMUCQQGEVKQ-UHFFFAOYSA-N
XLogP3.22
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(4-methoxybenzoyl)-1H-pyrrole-2-carboxamide
CID 3754901
4-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-N-(pyridin-4-ylmethyl)benzamide
CID 46109252
2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 154646142
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
3-N-(4-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055212
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
2,2,2-trichloro-1-[4-(4-chlorobenzoyl)-1H-pyrrol-2-yl]ethanone
CID 2768553
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907
7-chloro-4-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-3-carboxamide
CID 39042088
4-bromo-3-chloro-N-(pyridin-4-ylmethyl)benzamide
CID 80948919
4-N-(3-chlorophenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047778
1-(4-chlorophenyl)-5-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110372973

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide (CID 155538726) is 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide is O=C(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NCc2ccncc2)c1.
What is the InChIKey of 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RMJIMUCQQGEVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-15-3-1-13(2-4-15)17(23)14-9-16(21-11-14)18(24)22-10-12-5-7-20-8-6-12/h1-9,11,21H,10H2,(H,22,24).
What are the key properties of 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 339.78 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-N-(pyridin-4-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 155538726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).